(3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine

C6H13FN2O2S — CID 171582016

IUPAC(3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CC[C@@H](N)[C@@H](F)C1
InChIInChI=1S/C6H13FN2O2S/c1-12(10,11)9-3-2-6(8)5(7)4-9/h5-6H,2-4,8H2,1H3/t5-,6+/m0/s1
InChIKeyOMLDKOMECAGHJA-NTSWFWBYSA-N
MW196.25 g/mol
LogP-0.68
Rot. Bonds1

About (3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine

(3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine (PubChem CID 171582016) has the molecular formula C6H13FN2O2S and a molecular weight of 196.25 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine
PubChem CID171582016
Molecular FormulaC6H13FN2O2S
Molecular Weight196.25 g/mol
Exact Mass196.07
IUPAC Name(3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CC[C@@H](N)[C@@H](F)C1
InChIInChI=1S/C6H13FN2O2S/c1-12(10,11)9-3-2-6(8)5(7)4-9/h5-6H,2-4,8H2,1H3/t5-,6+/m0/s1
InChIKeyOMLDKOMECAGHJA-NTSWFWBYSA-N
XLogP-0.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-methylsulfonylpiperidin-4-amine
CID 67385582
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
3-fluoro-1-methylsulfonylpiperidine-4-carbaldehyde
CID 175479281
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3S,4S)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
CID 177300179
4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride
CID 162383208
4-amino-1-methylsulfonylazepane-3-carbaldehyde
CID 174429979
4-amino-3-fluoropiperidine-1-carbaldehyde
CID 174684436
(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941
N-iodo-1-methylsulfonylpyrrolidin-3-amine
CID 163979341
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine (CID 171582016) is (3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CC[C@@H](N)[C@@H](F)C1.
What is the InChIKey of (3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine?
The InChIKey is OMLDKOMECAGHJA-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13FN2O2S/c1-12(10,11)9-3-2-6(8)5(7)4-9/h5-6H,2-4,8H2,1H3/t5-,6+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine?
(3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine has a molecular weight of 196.25 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 171582016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).